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Information card for entry 7157697
Preview
| Coordinates | 7157697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,3-dimethyl-4-phenyl-1,2,3-triazolium triiodide |
|---|---|
| Formula | C10 H12 I3 N3 |
| Calculated formula | C10 H12 I3 N3 |
| Title of publication | Anion-cation synergistic metal-free catalytic oxidative homocoupling of benzylamines by triazolium iodide salts. |
| Authors of publication | Byrne, Joseph P.; Albrecht, Martin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 37 |
| Pages of publication | 7379 - 7387 |
| a | 20.4846 ± 0.0008 Å |
| b | 9.4451 ± 0.0003 Å |
| c | 15.8942 ± 0.0007 Å |
| α | 90° |
| β | 99.242 ± 0.004° |
| γ | 90° |
| Cell volume | 3035.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.191 |
| Weighted residual factors for all reflections included in the refinement | 0.1977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258948 (current) | 2020-11-06 | cif/ Updating files of 7157695, 7157696, 7157697 Original log message: Adding full bibliography for 7157695--7157697.cif. |
7157697.cif |
| 255916 | 2020-09-05 | cif/ Adding structures of 7157695, 7157696, 7157697 via cif-deposit CGI script. |
7157697.cif |
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Users of the data should acknowledge the original authors of the
structural data.